basic_info |
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Product_Name: | DIRECT DYE |
EnglishSynonyms: | DIRECT DYE (DIPHENYL FAST YELLOW C5GL SUPRA CI 40050) ; DIRECT DYE |
pro_mdlNumber: | MFCD00267034 |
pro_acceptors: | 17 |
pro_donors: | 3 |
pro_smile: | COc1cc(ccc1/N=N/c2cc(c3ccccc3c2O)S(=O)(=O)[O-])c4ccc(c(c4)OC)/N=N/c5c(cc6cc(c(cc6c5O)O)C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
InChi: | InChI=1S/C35H26N4O13S2.3Na/c1-51-28-12-17(7-9-24(28)36-38-26-16-30(53(45,46)47)20-5-3-4-6-21(20)33(26)41)18-8-10-25(29(13-18)52-2)37-39-32-31(54(48,49)50)14-19-11-23(35(43)44)27(40)15-22(19)34(32)42;;;/h3-16,40-42H,1-2H3,(H,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3/b38-36+,39-37+;;; |
InChiKey: | InChIKey=SKGHFRCGVFLVCA-FGDFEUGYSA-K |
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